HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Benzylpiperidin-4-ol
SKL206 · TIMTEC-BB SBB003629 · 4-benzyl-4-piperidino · 4-BENZYL-4-PIPERIDINOL · 4-benzylpiperidin-4-ol · 4-Piperidinol, 4-benzyl- · Piperidin-4-ol, 4-benzyl- · 4-Benzyl-4-hydroxypiperidine
Identifikatoren & physikalische Daten
| CAS No. | 51135-96-7 |
|---|---|
| Summenformel | C12H17NO |
| Durchschnittliche Molmasse | 191,27 g/mol |
| Monoisotopische Masse | 191,13101416 g/mol |
| SMILES | OC1(Cc2ccccc2)CCNCC1 |
| InChIKey | KJZBZOFESQSBCV-UHFFFAOYSA-N |
| PubChem CID | 98152 |
| ChEMBL | CHEMBL1409838 |
| EC No. | 257-003-7 |
| DTXSID | DTXSID40199164 |
| Lokaler Name | 4-Benzylpiperidin-4-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 169 |
| Löslichkeit | >28.7 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)Slightly soluble in water. |
| Schmelzpunkt | 80-85 °C |
| Siedepunkt | 327.03°C (rough estimate) |
| Dichte | 1.0096 (rough estimate) |
| Brechungsindex | 1.5212 (estimate) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 14.94±0.20(Predicted) |
| Farbe | Yellow to brownish |
| BRN | 1451803 |
| CAS Datenbank | 51135-96-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (90.7%) |
| Zollcode | 29333999 |
| RTECS-Nr. | TN6836000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 37/39-26 |
Anwendungen & Verwendung
Verwenden
It is a building block used for the synthesis of various compounds, having therapeutic properties, such as synthesis of 4-Benzimidazolyl-piperidinylcarbonyl-piperidine analogs as histamine H3 antagonists.